Primitive chain network simulations for elongational viscosity of bidisperse polystyrene melts

Takeda, Kyozaburo; Sukumaran, Sathish K.; Sugimoto, Masataka; Koyama, Kiyohito; Masubuchi, Yuichi

doi:10.1186/s40323-015-0035-7

Cited by 23 publications

(22 citation statements)

References 25 publications

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“…The code used in this study is essentially the same of that previously employed for the simulation of entangled polymers in uniaxial elongational flows 4,6,[11][12][13] . Entangled polymers are replaced by a network, which consists of nodes, strands, and dangling ends.…”

Section: Model and Simulationsmentioning

confidence: 99%

Primitive Chain Network Simulations of Entangled Melts of Symmetric and Asymmetric Star Polymers in Uniaxial Elongational Flows

Masubuchi

Ianniruberto

Marrucci

2021

J. Soc. Rheol., Jpn

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Ianniruberto and Marrucci [Macromolecules, 46, 267-275, 2013] developed a theory whereby entangled branched polymers behave like linear ones in fast elongational fl ows. In order to test such prediction, Huang et al [Macromolecules, 49, 6694-6699, 2016] performed elongational measurements on star polymer melts, indeed revealing that, in fast fl ows, the elongational viscosity is insensitive to the molecular structure, provided the molecular weight of the "backbone" (spanning the largest end-to-end distance of the molecule) is the same. Inspired by these studies, we here report on results obtained with multi-chain sliplink simulations for symmetric and asymmetric star polymer melts, as well as calculations of the Rouse time of the examined branched structures (not previously determined by Ianniruberto and Marrucci). The simulations semi-quantitatively reproduce the experimental data if the Kuhn-segment orientation-induced reduction of friction (SORF) is accounted for. The observed insensitivity of the nonlinear elongational viscosity to the molecular structure for the same span molar mass may be due to several factors. In the symmetric case, the calculated Rouse time of the star marginally differs from that of the linear molecule, so that possible differences in the observed stress fall within the experimental uncertainty. Secondly, it is possible that fl ow-induced formation of hooked star pairs (or even larger aggregates) makes the effective Rouse time of the aggregate even closer to that of the linear polymer because the friction center moves towards the branchpoint of the star molecule. In the asymmetric case, it is shown that the stress contributed by the short arms is negligible with respect to that of the long ones. However, such stress reduction is balanced by a dilution effect whereby the unstretched arms reduce SORF as they decrease the Kuhn-segment order parameter of the system. As a result of that dilution, the stress contributed by the backbone is larger. The two effects compensate one another, so that the overall stress is virtually the same of the other architectures.

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Section: Model and Simulationsmentioning

confidence: 99%

Primitive Chain Network Simulations of Entangled Melts of Symmetric and Asymmetric Star Polymers in Uniaxial Elongational Flows

Masubuchi

Ianniruberto

Marrucci

2021

J. Soc. Rheol., Jpn

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“…including bidisperse [17] and branch systems [18,19] to demonstrate the consistency of the friction change for different systems. Similar studies have been conducted for molecular constitutive equations [1,[20][21][22][23][24].…”

Section: Introductionmentioning

confidence: 99%

Analysis of Elongational Viscosity of Entangled Poly (Propylene Carbonate) Melts by Primitive Chain Network Simulations

et al. 2022

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It has been established that the elongational rheology of polymers depends on their chemistry. However, the analysis of experimental data has been reported for only a few polymers. In this study, we analyzed the elongational viscosity of poly (propylene carbonate) (PPC) melts in terms of monomeric friction via primitive chain network simulations. By incorporating a small polydispersity of materials, the linear viscoelastic response was semi-quantitatively reproduced. Owing to this agreement, we determined units of time and modulus to carry out elongational simulations. The simulation with constant monomeric friction overestimated elongational viscosity, whereas it nicely captured the experimental data if friction decreased with increasing segment orientation. To see the effect of chemistry, we also conducted the simulation for a polystyrene (PS) melt, which has a similar entanglement number per chain and a polydispersity index. The results imply that PPC and PS behave similarly in terms of the reduction of friction under fast deformations.

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“…The model and the simulation code used in this study are the same as those employed in the previous studies for polymer melts under elongation [17][18][19][20] , except the extension to cross-linked networks. In the model [21][22][23] , an entangled polymeric liquid is replaced by a network consisting of network nodes, strands, and dangling ends.…”

Section: Model and Simulationsmentioning

confidence: 99%

Elasticity of Randomly Cross-Linked Networks in Primitive Chain Network Simulations

Masubuchi

2021

J. Soc. Rheol., Jpn

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Primitive chain network simulations for randomly cross-linked slip-link networks were performed. For the percolated networks, the stress-strain relationship was compared to the theories by Ball et al. [Polymer, 22, 1010[Polymer, 22, (1981] and Rubinstein and Panyukov [Macromolecules, 35, 6670 (2002)]. The simulation results are reasonably reproduced by both theories when the contributions from cross-links and slip-links are determined irrespective of the network structure. The fraction of slip-links contained in the network thus obtained is model dependent, and it does not coincide with the number of active slip-links in the actual networks. This discrepancy between the theories and the simulation results is due to the network inhomogeneity.

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Primitive chain network simulations for elongational viscosity of bidisperse polystyrene melts

Cited by 23 publications

References 25 publications

Primitive Chain Network Simulations of Entangled Melts of Symmetric and Asymmetric Star Polymers in Uniaxial Elongational Flows

Primitive Chain Network Simulations of Entangled Melts of Symmetric and Asymmetric Star Polymers in Uniaxial Elongational Flows

Analysis of Elongational Viscosity of Entangled Poly (Propylene Carbonate) Melts by Primitive Chain Network Simulations

Elasticity of Randomly Cross-Linked Networks in Primitive Chain Network Simulations

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